==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-09 3I30 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITIRACHIUM ALBUM; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,R.RAVELLI,S.MCSWEENEY,C.NICOLINI . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 X A 0 0 38 0, 0.0 24,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 124.2 -9.4 12.8 -17.6 2 2 X A E -A 24 0A 68 22,-0.2 2,-0.6 20,-0.0 22,-0.2 -0.831 360.0-166.5-105.6 129.7 -7.6 10.4 -15.2 3 3 X Q E > -A 23 0A 29 20,-2.7 20,-2.3 -2,-0.5 3,-0.6 -0.945 19.4-148.9-110.4 107.4 -6.1 11.4 -11.9 4 4 X T T 3 S+ 0 0 98 -2,-0.6 18,-0.2 1,-0.2 7,-0.0 -0.394 75.3 17.3 -76.2 155.7 -3.9 8.6 -10.6 5 5 X N T 3 S+ 0 0 143 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.871 88.3 168.7 49.9 43.0 -3.4 7.9 -6.9 6 6 X A < - 0 0 9 15,-2.4 -1,-0.1 -3,-0.6 76,-0.1 -0.392 48.0 -79.6 -75.6 158.2 -6.5 9.9 -6.1 7 7 X P >> - 0 0 21 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.314 49.0-112.2 -53.6 145.3 -8.1 9.9 -2.7 8 8 X W H 3> S+ 0 0 27 1,-0.2 4,-2.4 199,-0.2 12,-0.2 0.828 114.5 58.2 -55.2 -35.0 -10.2 6.7 -2.4 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 105.5 48.2 -66.1 -38.5 -13.5 8.5 -2.4 10 10 X L H <> S+ 0 0 0 -3,-0.8 4,-0.9 2,-0.2 14,-0.3 0.944 112.9 48.3 -65.2 -47.1 -12.8 10.2 -5.7 11 11 X A H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.895 110.5 53.6 -58.2 -38.1 -11.8 6.9 -7.3 12 12 X R H >< S+ 0 0 5 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.2 0.899 101.4 57.8 -65.1 -41.2 -15.0 5.4 -5.8 13 13 X I H 3< S+ 0 0 0 -4,-2.0 262,-3.1 1,-0.3 263,-0.3 0.687 111.7 41.5 -66.6 -18.9 -17.3 8.0 -7.3 14 14 X S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.126 105.3 86.7-111.6 21.9 -16.1 7.1 -10.8 15 15 X S < - 0 0 17 -3,-1.7 242,-0.1 1,-0.1 261,-0.1 -0.940 61.4-152.6-128.6 144.6 -16.0 3.3 -10.4 16 16 X T S S+ 0 0 91 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.467 91.6 43.3 -81.4 -5.1 -18.4 0.4 -10.6 17 17 X S S S- 0 0 62 -5,-0.1 3,-0.4 240,-0.0 -3,-0.1 -0.993 80.2-120.7-139.7 149.5 -16.2 -1.4 -8.0 18 18 X P S S+ 0 0 57 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.325 84.9 57.2 -72.9 167.6 -14.4 -0.6 -4.7 19 19 X G S S+ 0 0 76 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.657 74.7 114.3 89.2 18.7 -10.6 -1.0 -4.5 20 20 X T - 0 0 61 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.778 47.1-158.0-117.1 168.6 -9.3 1.3 -7.2 21 21 X S + 0 0 69 -2,-0.3 -15,-2.4 -10,-0.1 2,-0.5 0.272 59.0 91.6-134.1 10.4 -7.3 4.4 -7.0 22 22 X T - 0 0 28 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.944 60.0-145.4-113.4 130.6 -7.7 6.4 -10.2 23 23 X Y E -A 3 0A 0 -20,-2.3 -20,-2.7 -2,-0.5 2,-0.4 -0.848 14.7-164.6 -94.6 124.6 -10.4 9.1 -10.5 24 24 X Y E +A 2 0A 96 -2,-0.5 2,-0.3 -14,-0.3 253,-0.2 -0.939 20.6 150.3-111.6 132.5 -11.9 9.4 -14.0 25 25 X Y - 0 0 30 -24,-1.7 2,-0.2 -2,-0.4 -11,-0.0 -0.995 50.6 -89.4-158.2 152.8 -14.0 12.4 -15.0 26 26 X D > - 0 0 53 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.474 40.3-124.6 -65.1 136.3 -15.0 14.6 -17.9 27 27 X E T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.654 102.7 80.6 -63.0 -18.1 -12.5 17.4 -18.3 28 28 X S T > S- 0 0 37 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.865 75.3-174.2 -56.6 -36.3 -15.2 20.1 -18.1 29 29 X A T < - 0 0 0 -3,-1.9 58,-3.0 1,-0.3 59,-0.4 0.734 64.9 -53.2 55.1 34.6 -14.9 19.4 -14.4 30 30 X G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 -1,-0.3 0.611 84.3 167.7 76.9 11.5 -17.7 21.6 -13.2 31 31 X Q T < + 0 0 126 -3,-2.4 -1,-0.2 1,-0.3 57,-0.2 -0.352 67.6 23.5 -58.2 134.9 -16.5 24.7 -15.0 32 32 X G T 3 S+ 0 0 23 55,-0.5 93,-2.8 1,-0.4 94,-0.6 0.400 104.5 102.1 87.9 -4.2 -19.3 27.4 -15.1 33 33 X S E < -b 126 0B 1 -3,-2.0 56,-1.7 92,-0.2 -1,-0.4 -0.599 58.2-146.9-100.2 169.0 -21.0 25.9 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.3 -2,-0.2 2,-0.4 -0.998 6.4-163.3-137.3 142.8 -20.9 27.3 -8.4 35 35 X V E -bc 128 90B 0 54,-2.8 56,-2.5 -2,-0.3 2,-0.4 -0.988 8.8-151.6-128.1 124.1 -20.9 25.5 -5.1 36 36 X Y E -bc 129 91B 0 92,-2.9 94,-3.1 -2,-0.4 2,-0.6 -0.787 6.4-156.1 -87.6 132.1 -21.7 27.3 -1.8 37 37 X V E -bc 130 92B 0 54,-2.8 56,-2.3 -2,-0.4 2,-0.8 -0.946 5.7-164.0-111.5 108.7 -20.0 25.7 1.2 38 38 X I E + c 0 93B 0 92,-2.2 94,-0.5 -2,-0.6 56,-0.2 -0.841 51.7 83.9-100.1 104.6 -22.1 26.7 4.3 39 39 X D E S- c 0 94B 1 54,-2.1 57,-2.2 -2,-0.8 56,-1.4 -0.594 97.6 -31.7-169.0-146.3 -19.8 25.9 7.2 40 40 X T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.359 98.3 -93.6 -84.1 4.6 -16.9 27.3 9.2 41 41 X G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.615 37.9 -91.8 110.6-177.4 -15.5 29.2 6.1 42 42 X I - 0 0 4 21,-0.5 2,-1.7 -2,-0.2 3,-0.1 -0.988 20.0-129.8-139.8 130.3 -13.0 28.4 3.4 43 43 X E > - 0 0 40 -2,-0.3 3,-1.9 1,-0.2 6,-0.2 -0.629 30.3-175.4 -76.6 88.2 -9.3 29.2 3.4 44 44 X A T 3 S+ 0 0 34 -2,-1.7 7,-0.5 1,-0.3 9,-0.3 0.762 73.6 65.2 -62.2 -26.8 -9.4 30.7 -0.1 45 45 X S T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.552 70.7 121.4 -73.7 -8.8 -5.6 31.3 -0.2 46 46 X H X> - 0 0 10 -3,-1.9 3,-2.4 1,-0.2 4,-0.5 -0.380 68.4-133.9 -58.9 126.0 -5.0 27.6 -0.1 47 47 X P G >4 S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.802 101.8 70.4 -51.4 -29.8 -3.0 26.7 -3.3 48 48 X E G 34 S+ 0 0 12 1,-0.2 32,-2.6 2,-0.1 33,-0.1 0.702 94.0 54.9 -61.6 -20.9 -5.4 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.4 3,-2.6 30,-0.2 -1,-0.2 0.628 90.2-150.6 -90.4 -15.0 -8.2 26.2 -4.7 50 50 X E T << - 0 0 94 -3,-1.2 -2,-0.1 -4,-0.5 -5,-0.1 0.767 67.8 -56.8 56.4 30.5 -6.3 28.0 -7.5 51 51 X G T 3 S+ 0 0 67 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.480 116.6 111.0 80.8 1.4 -8.1 31.2 -6.9 52 52 X R < + 0 0 20 -3,-2.6 38,-2.9 -8,-0.1 2,-0.3 0.474 62.6 75.0 -87.7 -3.5 -11.5 29.6 -7.5 53 53 X A E +d 90 0B 9 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.843 53.7 164.0-108.8 148.8 -12.6 29.9 -3.9 54 54 X Q E -d 91 0B 94 36,-1.6 38,-2.8 -2,-0.3 2,-0.4 -0.974 36.9-117.5-157.1 146.2 -13.8 33.1 -2.1 55 55 X M E +d 92 0B 32 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.743 30.4 171.9 -79.8 132.0 -15.6 34.0 1.1 56 56 X V E + 0 0 26 36,-2.8 2,-0.3 -2,-0.4 37,-0.2 0.547 60.9 14.4-115.6 -14.6 -18.9 35.8 0.4 57 57 X K E +d 93 0B 76 35,-1.4 37,-2.9 6,-0.1 -1,-0.3 -0.961 50.9 176.4-162.5 141.3 -20.5 36.0 3.9 58 58 X T E -d 94 0B 38 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.977 19.6-160.7-140.4 155.8 -19.8 35.6 7.6 59 59 X Y S S+ 0 0 67 35,-1.4 2,-0.2 -2,-0.3 36,-0.1 0.219 76.5 68.9-112.5 9.9 -21.9 36.1 10.7 60 60 X Y S S- 0 0 32 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.576 103.3 -84.6-124.2-177.9 -18.9 36.4 13.0 61 61 X Y S S+ 0 0 228 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.688 111.7 25.4 -71.5 -14.1 -16.0 38.8 13.6 62 62 X S - 0 0 53 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.970 59.9-143.4-142.7 158.6 -14.1 37.2 10.8 63 63 X S + 0 0 51 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.416 68.3 118.7 -94.1 -2.1 -14.6 35.3 7.6 64 64 X R S S- 0 0 64 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.387 70.7-125.4 -66.7 138.2 -11.5 33.2 8.3 65 65 X D + 0 0 10 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.768 35.8 169.9 -80.0 99.7 -11.9 29.5 8.7 66 66 X G S S+ 0 0 38 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.260 72.8 48.9 -93.3 10.5 -10.2 29.1 12.1 67 67 X N S S- 0 0 47 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.784 89.5-136.5-111.1 -56.4 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 -0.054 76.1 101.6 118.7 -29.5 -10.6 23.6 9.2 69 69 X H H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 84.5 45.5 -56.2 -48.8 -13.9 21.8 8.7 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.878 112.7 51.6 -62.6 -39.1 -15.2 24.1 6.0 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.884 109.7 50.1 -64.7 -39.3 -11.9 24.1 4.2 72 72 X H H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 139,-0.4 0.953 112.4 46.2 -63.9 -49.7 -11.9 20.3 4.2 73 73 X C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.925 111.8 51.3 -59.0 -46.3 -15.4 20.1 2.8 74 74 X A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.873 106.8 55.7 -58.8 -38.1 -14.7 22.8 0.2 75 75 X G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.877 105.8 49.9 -62.4 -38.7 -11.6 20.8 -0.8 76 76 X T H < S+ 0 0 1 -4,-1.8 8,-2.3 -3,-0.2 -1,-0.2 0.860 113.2 48.0 -70.3 -33.6 -13.7 17.7 -1.5 77 77 X V H < S- 0 0 0 -4,-1.9 8,-2.9 6,-0.2 -2,-0.2 0.964 138.0 -12.9 -64.6 -51.4 -16.1 19.7 -3.6 78 78 X G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.316 81.2 131.1-149.3 11.4 -13.6 21.5 -5.7 79 79 X S X - 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -30,-0.2 -0.384 62.4-116.0 -69.2 156.7 -9.9 21.4 -4.9 80 80 X R T 4 S+ 0 0 109 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.899 109.5 21.4 -60.0 -43.2 -7.5 20.5 -7.7 81 81 X T T 4 S+ 0 0 47 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.853 135.1 32.4 -93.3 -40.2 -6.2 17.3 -6.0 82 82 X Y T 4 S+ 0 0 37 -76,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.435 98.7 100.8-102.9 0.5 -8.9 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.5 3,-0.3 1,-0.1 -6,-0.2 -0.603 57.9-150.8-101.0 151.3 -12.0 17.6 -5.3 84 84 X V S S+ 0 0 0 -8,-2.3 2,-0.7 1,-0.2 -6,-0.2 0.900 100.0 38.2 -72.7 -46.9 -14.8 16.1 -7.4 85 85 X A S > S- 0 0 0 -8,-2.9 3,-1.5 -9,-0.2 -1,-0.2 -0.824 73.0-176.6-113.4 88.2 -15.4 19.2 -9.5 86 86 X K T 3 S+ 0 0 6 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.496 78.2 40.8 -76.2 -4.2 -12.0 20.6 -10.1 87 87 X K T 3 S+ 0 0 75 -58,-3.0 -55,-0.5 2,-0.1 -1,-0.3 0.251 85.6 118.6-124.1 10.3 -13.0 23.7 -12.0 88 88 X T < - 0 0 0 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.296 67.0-114.0 -70.2 160.3 -16.1 24.8 -10.1 89 89 X Q E -c 34 0B 74 -56,-1.7 -54,-2.8 -59,-0.3 2,-0.5 -0.854 30.1-149.1 -92.9 133.4 -16.3 28.2 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.9 -36,-1.6 -2,-0.5 2,-0.5 -0.900 11.2-169.0-110.5 130.5 -16.5 27.9 -4.5 91 91 X F E -cd 36 54B 8 -56,-2.5 -54,-2.8 -2,-0.5 2,-0.4 -0.972 12.2-147.2-120.9 121.5 -18.3 30.4 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.8 -36,-2.8 -2,-0.5 -35,-1.4 -0.740 13.5-175.8 -92.8 132.2 -17.8 30.3 1.5 93 93 X V E -cd 38 57B 0 -56,-2.3 -54,-2.1 -2,-0.4 2,-1.3 -0.965 17.0-149.5-124.7 109.0 -20.6 31.2 3.9 94 94 X K E +cd 39 58B 4 -37,-2.9 -35,-1.4 -2,-0.5 -54,-0.2 -0.665 40.6 144.4 -87.9 91.8 -19.4 31.1 7.5 95 95 X V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.3 -55,-0.2 0.523 61.0 69.0 -97.0 -12.5 -22.5 30.1 9.6 96 96 X L S S- 0 0 9 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.898 79.7-130.4-109.8 139.1 -20.3 28.1 12.1 97 97 X D > - 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